L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate
TL;DR: L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate (CAS 136489-91-3) is a chemical compound with molecular formula C21H31NO13 and molecular weight 505.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2S,3R,4R,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]acetate
Also Known As: L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate, 1-O,2-O,3-O,4-O-Tetraacetyl-6-deoxy-6-[(tert-butoxycarbonyl)amino]-alpha-L-glycero-L-talo-heptopyranuronic acid methyl ester, methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2S,3R,4R,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]acetate, methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-2-[(2S,3R,4R,5R,6S)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]acetate, Methyl 1,2,3,4-tetra-O-acetyl-6-{[tert-butoxy(hydroxy)methylidene]amino}-6-deoxy-L-glycero-alpha-L-talo-heptopyranuronate
| Molecular Formula | C21H31NO13 |
|---|---|
| Molecular Weight | 505.18 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 505.17953 |
| Heavy Atoms | 35 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 136489-91-3 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)C)[C@H](C(=O)OC)NC(=O)OC(C)(C)C)OC(=O)C |
| InChIKey | MLQPGPZCOQDBBV-CQQDWVGSSA-N |
Product Overview
L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate (CAS 136489-91-3), with molecular formula C21H31NO13 and molecular weight 505.18 g/mol. IUPAC: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2S,3R,4R,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]acetate.
Chemical Property Profile of L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate
Property Insights of L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate. The TPSA of 179.0 Ų indicates high polarity, suggesting L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate?
The CAS number of L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate is 136489-91-3.
What is the molecular formula of L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate?
The molecular formula of L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate is C21H31NO13.
What is the molecular weight of L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate?
The molecular weight of L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate is 505.18 g/mol.
Where can I buy L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate?
You can request a quote for L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for L-glycero-alpha-L-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.